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All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Shock Deformation in Zircon, a Comparison of Results from Shock-Reverberation and Single-Shock Experiments

The utility of the mineral zircon, ZrSiO4, as a shock-metamorphic geobarometer and geochronometer, has been steadily growing within the planetary science community. Zircon is an accessory phase found in many terrestrial rock types, lunar samples, lunar meteorites, martian meteorites and various other achondrites. Because zircon is refractory and has a high closure temperature for Pb diffusion, it has been used to determine the ages of some of the oldest material on Earth and elsewhere in the Solar System. Furthermore, major (O) and trace-element (REE, Ti, Hf) abundances and isotope compositions of zircon help characterize the petrogenetic environments and sources from which they crystallized. The response of zircon to impact-induced shock deformation is predominantly crystallographic, including dislocation creep and the formation of planar and sub-planar, low-angle grain boundaries; the formation of mechanical {112} twins; transformation to the high pressure polymorph reidite; the development of polycrystalline microtextures; and dissociation to the oxide constituents SiO2 and ZrO2. Shock microstructures can also variably affect the U- Pb isotope systematics of zircon and, in some instances, be used to constrain the impact age. While numerous studies have characterized shock deformation in zircon recovered from a variety of terrestrial impact craters and ejecta deposits and Apollo samples, experimental studies of shock deformation in zircon are limited to a handful of examples in the literature. In addition, the formation conditions (e.g., P, T) of various shock microstructures, such as planar-deformation bands, twins, and reidite lamellae, remain poorly con-strained. Furthermore, previous shocked-zircon experimental charges have not been analyzed using modern analytical equipment. This study will therefore under-take an new set of zircon shock experiments, which will then be microstructurally characterized using state-of-the-art instrumentation within the Astromaterials Research and Exploration Science Division (ARES), NASA Johnson Space Center.

Erickon, T. M.↗
NASA NTRS2020

Fatigue Failures at Defective Grains in a Single Crystal Nickel-Base Superalloy

Single crystal nickel-base superalloys used as turbine engine blades can have much higher creep and fatigue resistance than many polycrystalline superalloys due to the absence of weak grain boundaries as well as the ability to orient the blades in the primary loading direction on to the low elastic modulus [001] orientation, which significantly lowers the stresses imposed on the blades. However, grain defects can occur in these crystals, impairing these advantages. In the present study, fatigue tests of a single crystal superalloy uncovered unexpected defective grains in the test specimens, which initiated premature fatigue failures. The characteristics of these defective grains and the associated failures were evaluated and related to the observed fatigue lives.

superalloy↗
NASA NTRS2017

Work function reduction in lanthanum hexaboride hollow cathodes operated in gas discharges

Thermal characterization of lanthanum hexaboride (LaB6) hollow cathodes has revealed lower than expected electron emitter temperatures when the cathode reaches steady state. This phenomenon is observed at discharge currents ranging from 5 to 35 A and xenon mass ow rates of 5 to 25 sccm in cathodes with three di erent ori ce diameters. Thus, the accepted value of the work function for polycrystalline LaB6, 2.66 eV, does not describe well the emission characteristics of LaB6 hollow cathodes operating with internal gas discharges at steady state. The measured temperatures and a model of the hollow cathode emitter and xenon discharge were used to estimate the value of the work function in these experiments, yielding a value ranging from 2.1 - 2.44 eV. Measurements of the work function as a function of depth on a hollow cathode emitter using X-ray photoelectron spectroscopy and ion beam milling indicate that the work function in a thin layer near the emitting surface is lower than in the bulk material. We postulate that a lanthanum-rich emitting surface with a lower work function develops as a result of lanthanum recycling in the internal plasma.

Lopez Ortega, Alejandro↗
NASA NTRSDate not supplied

Higher-Order Approximations for Stabilizing Zero-Energy Modes in Peridynamics Crystal Plasticity Models with Large Horizon Interactions

The non-ordinary state-based peridynamics theory combines non-local dynamic techniques with a desirable correspondence material principle, allowing for the use of continuum mechanics constitutive models. Such an approach presents a unique capability for solving problems involving discontinuities (e.g., strain localization, fracture, and fragmentation). However, the correspondence-based peridynamics models often suffer from zero-energy mode instabilities in numerical implementation, primarily due to the approximations of the non-local deformation gradient tensor. This paper focuses on a computational scheme for eliminating the zero-energy mode oscillations using a choice of influence functions that improve the truncation error in a higher-order Taylor series expansion of the deformation gradient. The novelty here is a tensor-based derivation of the linear constraint equations, which can be used to systematically identify the particle interaction weight functions for various user-specified horizon radii. In this paper, the proposed higher-order stabilization scheme is demonstrated for multi-dimensional examples involving polycrystalline and composite microstructures, along with comparisons against conventional finite element methods. The proposed stabilization scheme is shown to be highly effective in suppressing the spurious zero-energy mode oscillations in all numerical examples while enabling efficient simulations of strain localizations across material interfaces.

Non-Ordinary State-Based Peridynamics↗
NASA NTRSDate not supplied

An Integrated Recursive Framework for Arbitrarily Multiscale and Multi-fidelity Modeling

The NASA Multiscale Analysis Tool (NAMSAT) serves as a state-of-the-art, “plug and play,” massively multiscale modeling (M3) platform for hierarchical materials and structures. The development of NASMAT has focused on modularity, upgradability and maintainability, interoperability, and utility. Application Program Interfaces (APIs) have been developed to facilitate the integration NASMAT into other programs (commercial, research, and user-defined) as well as the integration of other codes into NASMAT. NASMAT is an integrated, recursive platform that seamlessly allows for an arbitrary number of scales, and a variety of modeling fidelity, in a single, non-linear analysis. Thus, the macroscopic response of a material can be directly linked to the behavior of the microstructure(s), including subscale defects, making it a suitable tool for integrated computational materials engineering (ICME) because . Examples using NASMAT for simulation of polycrystalline metals at elevated temperatures will be presented.

Multiscale Modeling↗
NASA NTRSDate not supplied

Unraveling Solar Wind Space Weathering of Carbon-Rich Asterods: Low-Flux VS. High-Flux Ion Irradiation of Murchison

Introduction: Space weathering processesalter the microstructural, compositional, and optical properties of airless planetary surfaces.Solar wind space weatheringforms ion-damaged rims within the outermost ~100 nm of regolith grains through atomic-displacements and implantation of energetic H+and He+ions[1]. Transmission electron microscope(TEM)studies of space weathered Itokawa and lunar olivine particles reveal predominantly nanocrystalline solar wind-damaged rims with only minor regions of amorphization[2-5]. This finding differs from laboratoryion irradiation experiments in which samples become amorphous at fluences 2-3 orders of magnitude lower than the independentlyconstrained fluences for still-crystalline natural samples [6-7].Ion flux is generally considered to have a secondaryeffectcompared to fluence in these irradiation experiments. However, solar wind irradiation of natural samples occurs at a flux that is ~4-5 orders of magnitude lower than whatisused inlaboratory simulations (e.g., [6,8-9]). Constraining how the very low ion flux of solar wind influences the microstructural, chemical, and spectral alteration of silicate minerals will improve our understanding of solar wind space weathering and aid in the analysis of returned samples from the Hayabusa2 and OSIRIS-REx missions. Here we report results from low-and high-flux ion irradiation experiments on the Murchison (CM2)meteoritewithcomparable total fluences. Methods: We performed low-flux and high-flux He+(4 keV) and H+(1 keV) irradiation experiments on separate, dry-cut Murchison slabs. Low-flux He+irradiation reached a total fluence of 2.1 x 1016ions/cm2(~400 years of exposure at Bennu) using a flux of 3.6 x 1011ions/cm2/s; low-flux H+irradiation reached a total fluence of 3.9 x 1016ions/cm2(~30 years) using a flux of 6.6 x 1011ions/cm2/s. High-flux He+irradiation reached a total fluence of 2.0 x 1016ions/cm2(~400 years)using a flux of 9.1 x 1012ions/cm2/s; high-flux H+irradiation reached a total fluence of 5.8 x 1016ions/cm2(~50 years)using flux of 8.4 x 1012ions/cm2/s. By irradiating to similar total fluences in both the low-flux and high-flux experiments, we can better isolate and evaluatethe effects of ion flux. Differences between unirradiatedand irradiated surfaces are determined using threeanalytical techniques:(1) in situX-ray photoelectron spectroscopy(XPS) reveals changes in surface chemistry,(2) visible to near-infrared spectroscopy (VNIR; 0.35-2.5 μm) highlights changes in spectraltrends, such as albedo and slope, and (3) TEM and energy-dispersive X-ray spectroscopy (EDS) identifieschanges in nanoscale structure and elemental composition within olivine and matrix electron-transparent thin sections prepared using focused ion beam scanning electron microscopy (FIB-SEM). Results and Discussion: XPS analyses of the low-fluxand high-fluxHe+-and H+-irradiated samples showa minorreduction in surface carbon contentand chemicalreduction ofFe3+to Fe2+. The latter result is consistent with the higher Fe2+/Fe3+ratios observed in phyllosilicate-rich space weathered rims of Ryugu grains [10].VNIR analyses suggest that the low-flux H+-irradiated spectrum has a slightly bluer slope (over 0.65-2.5 μm) compared to the unirradiated VNIR spectrum from [9] while the low-flux He+-irradiated spectral slope is comparable to the unirradiated surface. Both the high-flux He+-and H+-irradiated VNIR spectra exhibitslightlyhigheralbedos at shorter wavelengths relativeto their unirradiated counterparts, with He+irradiation yielding a greater change. Thus far, the low-flux He+-irradiated matrix and olivine FIBsections as well as the low-flux H+-irradiated olivine FIBsection have been examined with TEM. The surfaces of all three samplesshowless vesiculation than high-flux/high-fluenceirradiated matrix and olivine samples from [9]. The depth of phyllosilicate amorphization in thelow-fluxHe+-irradiated matrix FIBsection varieslaterally, with crystalline domains occurring as shallow as ~25 nm in some regions. Thelow-flux He+-irradiated olivine FIBsection has acontinuous,~40-90 nm thick ion-affected layer with polycrystalline and amorphous microstructures. The low-flux H+-irradiated olivine sampleexhibits a distinct, ~10-40 nm ion-affected layer whose uppermost ~20 nmin thicker regions is predominantly amorphous.Continuing to compare results from this work to those from [9] will provide a comprehensive understanding of how ion flux impacts the microstructural, chemical, and optical modification of various mineral phases and, in turn,help identify space weathering features from parent body alteration in Hayabusa2 and OSIRIS-REx returned samples.

D L Laczniak↗
NASA NTRSDate not supplied

Computational Characterization and Model Verification for 3D Microstructure Reconstruction of Additively-Manufactured Materials

The goal of this study is to characterize and validate the texture and grain topology of additively-manufactured anisotropic three-dimensional (3D) polycrystalline microstructures. The special focus is on developing methodologies to compare the grain shapes and orientations of two-dimensional (2D) and 3D microstructure representations using the same metric. To generate statistical data, synthetic microstructures are reconstructed from experimental data using Markov random field (MRF). The statistical similarity between the experimental and synthetic microstructures is verified by comparing their grain topologies. A universal measure to compare 2D and 3D grains is portrayed through the concept of image moments that are invariant to shape transformations. The graphical plots developed based on moment invariants to compare the 2D and 3D grains are used to verify the synthetic model

Materials Characterization↗
NASA NTRS2023

A 3D Printable Alloy Designed for Extreme Environments

Multiprincipal-element alloys are an enabling class of materials owing to their impressive mechanical and oxidation-resistant properties, especially in extreme environments. Here we develop a new oxide-dispersion-strengthened NiCoCr-based alloy using a model-driven alloy design approach and laser-based additive manufacturing. This oxide-dispersion-strengthened alloy, called GRX-810, uses laser powder bed fusion to disperse nanoscale Y 2 O 3 particles throughout the microstructure without the use of resource-intensive processing steps such as mechanical or in situ alloying. We show the successful incorporation and dispersion of nanoscale oxides throughout the GRX-810 build volume via high-resolution characterization of its microstructure. The mechanical results of GRX-810 show a twofold improvement in strength, over 1,000-fold better creep performance and twofold improvement in oxidation resistance compared with the traditional polycrystalline wrought Ni-based alloys used extensively in additive manufacturing at 1,093 °C. The success of this alloy highlights how model-driven alloy designs can provide superior compositions using far fewer resources compared with the ‘trial-and-error’ methods of the past. These results showcase how future alloy development that leverages dispersion strengthening combined with additive manufacturing processing can accelerate the discovery of revolutionary materials.

Timothy M. Smith↗
NASA NTRS2023

Recrystallization of A Shot Peened Single Crystal Nickel-Base Superalloy

Single crystal nickel-base superalloys used as turbine engine airfoils can have much higher creep and thermal fatigue resistance required for blades and vanes than polycrystalline superalloys due to the absence of weak grain boundaries, as well as the low elastic modulus in the [001] single crystal growth direction (Refs. 1 and 2). This has allowed an increase in the turbine rim inlet temperatures for improved performance and efficiency. However, these advantages in performance require constraints on acceptable levels of single crystal defects, such as macroscopic grain boundaries at low angles to the primary grain (i.e., low angle boundaries or LAB), higher angle boundaries, small new grains nucleated at the blade surface (a.k.a. freckles), larger new grains, and also the single crystal blades’ orientation, typically degrees off of the [001] direction and the orientation of a transverse [010] direction with respect to blade geometry. Therefore, single crystal turbine airfoils, which are frequently used with as-cast surfaces, are grain etched and inspected before and after heat treatments to ensure these aspects conform to acceptability limits.

single crystal↗
NASA NTRS2024

Achieving High Efficiency in Reduced Order Modeling for Large Scale Polycrystal Plasticity Simulations

Reduced order models for the nonlinear response of heterogeneous microstructures typically require a construction (or training) stage to build the reduced order basis. In this manuscript, an efficient model construction strategy for the eigenstrain homogenization method (EHM) is presented. The proposed strategy relies on a parallel, element-by-element, conjugate gradient solver. Near linear scaling has been achieved with respect to the number of degrees of freedom used to resolve the microstructure. Linear scaling with respect to the number of pre-analyses required to construct the reduced order model (ROM) follows from the EHM formulation. Furthermore, a parallel implementation for fast evaluation of the constructed ROM has been developed using shared memory parallelization. It has been shown that for large microstructures with ≈ 10,000 grains, the total computational cost of evaluating the nonlinear response of a polycrystal could be reduced by approximately an order of magnitude using 32 cores with respect to serial ROM simulation. The present methodology has been verified using an additively manufactured polycrystalline microstructure of a nickel-based superalloy, Inconel 625. The capability of the developed framework to construct a ROM for such large microstructures, as well as the ability of the ROM to predict average and local quantities of interest has been demonstrated.

microscale↗
NASA NTRSDate not supplied

Phosphate Textural Diversity in CI Chondrites and C-Type Asteroids

Introduction: Apatite, Ca 5 (PO 4 ) 3 (CL/F/OH-), is a ubiquitous phosphate found throughout the solar system, including the most primitive solids, CI-chondrites [1,2] and related samples of carbonaceous asteroids Ryugu [3] and Bennu [4], returned by JAXA’s Hayabusa2 and NASA’s OSIRIS-REx missions, respectively. Apatite in these primitive solids is found as individual grains or mineral clusters and has been inferred to form from the hydrothermal sequence during cooling of their respective parent body or bodies. To better understand the formation history and reworking of these early phosphates we have undertaken a highly coordinated study of phosphate microstructures, geochemistry and U/Pb geochronology from a suite of CI meteorites and carbonaceous asteroid samples. These data have identified novel phosphate microstructures and complex relationships across a suite of apatite grains from the early solar system, indicating multiple episodes of growth and modification on the CI parent body(ies). Methods: Samples of CI chondrites, Alais, Ivuna, Orgueil, Oued Chebeika 002, Yamato (Y) 82162, Y980115, Y980134, and two chips of Hayabusa2 Ryugu particles (A0262 and C0263) have been acquired for analysis. The bulk texture of the samples were first scanned by X-ray Computed Tomography (XCT) using the Nikon XT H 320 within the XFACT facility at NASA JSC or the Xradia 620 Versa at the UTCT facility. Based on the identification of petrofabrics or features of interest from the XCT data, samples were chipped, oriented, potted in epoxy and thick sections were prepared. After anhydrously polishing the samples with silicon carbide and dry diamond powder down to 1 µm, the samples were ion polished using a Hitachi ArBlade. Energy dispersive Xray spectrometry (EDS) maps were collected to ID phosphates of interest using a JEOL 7900F SEM. The internal microstructures of identified phosphates were then mapped by electron backscatter diffraction (EBSD) using the JEOL 7900F. Based on the EDS and EBSD data, domains of interest were targeted for quantitative chemical analyses using a JEOL 8530 EPMA. Subsequently, in situ U-Pb and 207 Pb/ 206 Pb ages will be collected using a Cameca ims1290 secondary ion mass spectrometer at UCLA across a range of microstructures. Results: Apatite grains are ubiquitous throughout the CI chondrites and carbonaceous asteroid materials, found as individual grains, disseminated clusters or grain aggregates. Apatite grains are associated with serpentine, magnet-ite, and/or carbonate. Of particular interest, we have identified individual and aggregate polycrystalline grains ex-hibiting an internal ‘honeycomb’ texture (Fig. 1). Some of these grains appear overprinted by subsequent alteration while others remain unaltered. Apatite halogen sites are dominated by the missing component, assumed to be OH, and F, comparable to published values from Bennu, Ryugu and CM-chondrites [3-5]. However, the Yamato CI-like meteorites show a broader range of Cl values, and one grain from Alais is dominated by CL. Summary: Apatite growth features indicate a protracted and complex growth history, consistent with precipitation from an evolving fluid system. The ‘honeycomb’ texture identified in some CI meteorites is, to the best of our knowledge, the first report of such a microstructure in meteoritic phosphate. The microtextures and zoning will guide subsequent age analyses, to better constrain the formation and reworking of phosphate in CI(-like) materials. Acknowledgments: We thank the National Institute of Polar Research, Japan for samples of Y82162, 980115 and 980134 meteorites, ASU’s Buseck Center for Meteorite Studies for samples of Ivuna and Alais meteorites, and JAXA curation for chips of Ryugu material. This work was funded by NASA ROSES LARS grant 24-LARS24-0014. References: [1] Morlok et al., 2016, GCA 70:5371-5394. [2] Alfin g et al., 2019, Geochemistry 79:125532. [3] Nakamura et al. (2022) Science 379:1-15. [4] Seifert et al. (2026) MAPS 61:504-521. [5] Piralla et al. (2021) MAPS 56:809-828.

CI chondrites↗
NASA NTRS1998

Some Properties of Re(sub 2)Te(sub 5) based Materials

One of the new approaches for developing thermoelectric materials with superior figures of merit is to look at materials which can be referred to as 'rattling' semiconductors.

coefficient values thermal conductivity electrical↗
NASA NTRS2021

Sputtering of Surfaces by Ion Irradiation: A Comparison of Molecular Dynamics and Binary Collision Approximation Models to Laboratory Measurements

We compare various sputtering simulation methods to experimental results in both the low energy (<1 keV) and high energy (≥1 keV) impact regimes for argon ions impacting a pure copper substrate at normal incidence. Our results indicate that for high energy impacts, both binary collision approximation (BCA) and molecular dynamics methods can be used to generate reasonable predictions for the yield and energy distribution of the sputtered atoms. We also find reasonable agreement between the theoretical and experimental results down to impact energies of 600 eV. However, at 200 eV impact energies, significant discrepancies appear between the experimental and theoretical ejecta energy distributions in the peak position, the width of the energy distribution, and the magnitude of the high energy tail. These discrepancies appear to arise from the experimental results being only for atoms sputtered normal to the substrate surface, whereas the theoretical results are integrated over all 2π solid angles above the surface. Using the BCA code SDTrimSP and limiting the results to only atoms emitted within ±15° of the surface normal brings theory and experiment into reasonable agreement. These results suggest that for low energy impacts, the energy distribution of sputtered atoms is highly dependent on the emission angle of the ejecta.

Solar wind↗